SCHEMBL6186637

SCHEMBL6186637

Cc1cccc(C)c1CN(CC(C)C)C1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.73
SLC6A4 P31645 18/20 0.73
SLC6A3 Q01959 9/20 0.73

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL5994635 0.89 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL5994630 0.89 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3
SCHEMBL5996491 0.84 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL5996386 0.84 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3
SCHEMBL5996739 0.83 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL5993281 0.83 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3
SCHEMBL6186913 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL5994946 0.79 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL5994714 0.79 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3
SCHEMBL3268016 0.79 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed